2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide

C12H15N5O3 — CID 31974734

IUPAC2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCn1nccc1CNC(=O)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C12H15N5O3/c1-15-11(19)4-6-17(12(15)20)8-10(18)13-7-9-3-5-14-16(9)2/h3-6H,7-8H2,1-2H3,(H,13,18)
InChIKeySUIRRLKZGIYQDR-UHFFFAOYSA-N
MW277.28 g/mol
LogP-1.40
Rot. Bonds4

About 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 31974734) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
PubChem CID31974734
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCn1nccc1CNC(=O)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C12H15N5O3/c1-15-11(19)4-6-17(12(15)20)8-10(18)13-7-9-3-5-14-16(9)2/h3-6H,7-8H2,1-2H3,(H,13,18)
InChIKeySUIRRLKZGIYQDR-UHFFFAOYSA-N
XLogP-1.40
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide (CID 31974734) is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide is Cn1nccc1CNC(=O)Cn1ccc(=O)n(C)c1=O.
What is the InChIKey of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is SUIRRLKZGIYQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-15-11(19)4-6-17(12(15)20)8-10(18)13-7-9-3-5-14-16(9)2/h3-6H,7-8H2,1-2H3,(H,13,18).
What are the key properties of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 277.28 g/mol, XLogP of -1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 31974734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).